2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid

C14H8BrClN2O2 — CID 107989442

IUPAC2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12
InChIInChI=1S/C14H8BrClN2O2/c15-9-6-7(4-5-10(9)16)13-17-11-3-1-2-8(14(19)20)12(11)18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyIJWCSLSTFKYKFA-UHFFFAOYSA-N
MW351.59 g/mol
LogP4.34
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid

2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 107989442) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID107989442
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12
InChIInChI=1S/C14H8BrClN2O2/c15-9-6-7(4-5-10(9)16)13-17-11-3-1-2-8(14(19)20)12(11)18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyIJWCSLSTFKYKFA-UHFFFAOYSA-N
XLogP4.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid (CID 107989442) is 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is IJWCSLSTFKYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-9-6-7(4-5-10(9)16)13-17-11-3-1-2-8(14(19)20)12(11)18-13/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid?
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 351.59 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107989442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).